resumo
The use of renewable energy sources for electricity generation is increasing, and effective energy storage solutions are needed to manage the mismatch between energy production and demand. Redox Flow Batteries (RFBs), particularly Membrane-Free Flow Batteries based on Aqueous Biphasic Systems (ABSs), are a promising technology for stationary energy storage. However, to prevent the crossover of species, the redox-active compounds used in the catholyte and anolyte must be selectively dissolved, which is currently achieved using expensive physical barriers. In this study, an approach was developed to predict the partition coefficient of redox-active compounds in ABSs formed by ionic liquids or polymers, salt, and water using the Conductor-like Screening Model for Real Solvents (COSMO-RS). Experimental data from literature was used to validate the model, resulting in a good correspondence between predicted and experimental data. Furthermore, the method was used to design viologen derivatives and predict their partition coefficients, nine of which were synthesized and validated experimentally. It was found that derivatives containing amine groups have the highest partition coefficients to the salt-rich phase. COSMO-RS proved to be a powerful tool to accelerate the development of advanced biphasic membrane-free flow batteries by designing and finding combinations of redox species with suitable partition coefficients.
palavras-chave
REDOX FLOW BATTERIES; DERIVATIVES; VIOLOGENS; SYSTEMS; STORAGE; ENERGY
categoria
Energy & Fuels
autores
Wojeicchowski, JP; Neves, CS; Navalpotro, P; Rubio-Presa, R; Ventosa, E; Marcilla, R; Coutinho, JAP
nossos autores
Catarina Maia Seco Seiça Neves
Investigador Auxiliar
José Pedro Wojeicchowski
Investigador JúniorProjectos
CICECO - Aveiro Institute of Materials (UIDB/50011/2020)
CICECO - Aveiro Institute of Materials (UIDP/50011/2020)
Associated Laboratory CICECO-Aveiro Institute of Materials (LA/P/0006/2020)
agradecimentos
This work was developed within the scope of the project CICECO-Aveiro Institute of Materials, UIDB/50011/2020, UIDP/50011/2020 & LA/P/0006/2020, financed by national funds through the FCT/MCTES (PIDDAC). The authors acknowledge the financial support by the MeBattery project. MeBattery has received funding from the European Innovation Council of the European Union under Grant Agreement no. 101046742.